3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea

C13H20N2O2 — CID 47385742

IUPAC3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CN(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N2O2/c1-10-11(7-8-17-10)9-15(2)13(16)14-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyFCPHQFANGULRLO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.67
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea

3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 47385742) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
PubChem CID47385742
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CN(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N2O2/c1-10-11(7-8-17-10)9-15(2)13(16)14-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyFCPHQFANGULRLO-UHFFFAOYSA-N
XLogP2.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
CID 47508994
2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815743
2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110048599
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61423971
3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea (CID 47385742) is 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CN(C)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is FCPHQFANGULRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-11(7-8-17-10)9-15(2)13(16)14-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 236.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 47385742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).